6-[(2-chlorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-[(2-chlorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-[(2-chlorophenyl)methyl]chromen-2-one CAS Name: 6-[(2-chlorophenyl)methyl]-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-[(2-chlorophenyl)methyl]chromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-(2-chlorobenzyl)coumarin Formula: C28H26ClN2O3+ MolecularWeight: 473.97064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)CC5=CC=CC=C5Cl)OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)CC5=CC=CC=C5Cl)OC3=O

InChI

InChI=1S/C28H25ClN2O3/c29-25-9-5-4-8-22(25)16-21-10-11-26-23(17-21)18-24(28(33)34-26)27(32)31-14-12-30(13-15-31)19-20-6-2-1-3-7-20/h1-11,17-18H,12-16,19H2/p+1